Screening of zeolites for H2S adsorption in mixed gases: GCMC and DFT simulations

Monte Carlo Simulations of SO2, H2S, and CO2 Adsorption in Charged Single-Walled Carbon Nanotube Arrays

(2020) Yong-Biao Yang et al.   Journal of Physical Chemistry C

MOF Materials for the Capture of Highly Toxic H2S and SO2

(2020) Eva Martínez-Ahumada et al.   ORGANOMETALLICS

Performance of Intrinsic and Modified Graphene for the Adsorption of H2S and CH4: A DFT Study

(2020) Xin Gao et al.   Nanomaterials

Removal of Hydrogen Sulfide From Various Industrial Gases: A Review of The Most Promising Adsorbing Materials

(2020) Amvrosios Georgiadis et al.   Catalysts

ZnFe2O4/activated carbon as a regenerable adsorbent for catalytic removal of H2S from air at room temperature

(2020) Chao Yang et al.   CHEMICAL ENGINEERING JOURNAL

Study of H2S Removal Capability from Simulated Biogas by Using Waste-Derived Adsorbent Materials

(2020) Hua Lun Zhu et al.   Processes

Sustainable Metallocavitand for Flue Gas Selective Sorption: A Multiscale Study

(2019) Biswajit Mohanty et al.   Journal of Physical Chemistry C

Chemical Liquid Deposition Modified 4A Zeolite as a Size-Selective Adsorbent for Methane Upgrading, CO2 Capture and Air Separation

(2019) Yiren Wang et al.   ACS Sustainable Chemistry & Engineering

Comparison of Y and ZSM-5 zeolite modified with magnetite nanoparticles in removal of hydrogen sulfide from air

(2019) M. J. Jafari et al.   International Journal of Environmental Science and Technology

H2S adsorption on NaY zeolite

(2019) Leonardo Hadlich de Oliveira et al.   MICROPOROUS AND MESOPOROUS MATERIALS

All-silica zeolites screening for capture of toxic gases from molecular simulation

(2018) Zhiguo Yan et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

Molecular simulation and experimental validation of resorcinol adsorption on Ordered Mesoporous Carbon (OMC)

(2018) Zaki Uddin Ahmad et al.   JOURNAL OF HAZARDOUS MATERIALS

Understanding SO2 Poisoning over Different Copper Species of Cu-SAPO-34 Catalyst: A Periodic DFT Study

(2018) Guangpeng Yang et al.   Journal of Physical Chemistry C

Effective removal of hydrogen sulfide using 4A molecular sieve zeolite synthesized from attapulgite

(2017) Xinpeng Liu et al.   JOURNAL OF HAZARDOUS MATERIALS

Adsorption of As 4 O 6 from flue gas by zeolites: Influence of pore structure and Al substitution

(2017) Xuesen Du et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Pressure swing adsorption separation of H2S/CO2/CH4 gas mixtures with molecular sieves 4A, 5A, and 13X

(2017) Howell H. Heck et al.   SEPARATION SCIENCE AND TECHNOLOGY

Identifying Optimal Zeolitic Sorbents for Sweetening of Highly Sour Natural Gas

(2016) Mansi S. Shah et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A multi-scale approach for the discovery of zeolites for hydrogen sulfide removal

(2016) Tingting Liu et al.   COMPUTERS & CHEMICAL ENGINEERING

Adsorption of hydrogen sulfide as initial step of H2S removal: A DFT study on metal exchanged ZSM-12 clusters

(2016) Mehmet Ferdi Fellah   FUEL PROCESSING TECHNOLOGY

Nature of Cu Species in Cu–SAPO-18 Catalyst for NH3–SCR: Combination of Experiments and DFT Calculations

(2016) Yongheng Li et al.   Journal of Physical Chemistry C

Catalysis in a Cage: Condition-Dependent Speciation and Dynamics of Exchanged Cu Cations in SSZ-13 Zeolites

(2016) Christopher Paolucci et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Research of CO2 and N2 Adsorption Behavior in K-Illite Slit Pores by GCMC Method

(2016) Guohui Chen et al.   Scientific Reports

Monte Carlo Simulations Probing the Adsorptive Separation of Hydrogen Sulfide/Methane Mixtures Using All-Silica Zeolites

(2015) Mansi S. Shah et al.   LANGMUIR

Structural single and multiple molecular adsorption of CO 2 and H 2 O in zeolitic imidazolate framework (ZIF) crystals

(2015) V. Timón et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Adsorption isotherms and ideal selectivities of hydrogen sulfide and carbon dioxide over methane for the Si-CHA zeolite: comparison of carbon dioxide and methane adsorption with the all-silica DD3R zeolite

(2013) Hafez Maghsoudi et al.   ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

Computational screening of porous carbons, zeolites, and metal organic frameworks for desulfurization and decarburization of biogas, natural gas, and flue gas

(2013) Xuan Peng et al.   AICHE JOURNAL

TraPPE-zeo: Transferable Potentials for Phase Equilibria Force Field for All-Silica Zeolites

(2013) Peng Bai et al.   Journal of Physical Chemistry C

Controlled release of 5-fluorouracil from microporous zeolites

(2013) Marios Spanakis et al.   Nanomedicine-Nanotechnology Biology and Medicine

Adsorption of hydrogen sulphide on Metal-Organic Frameworks

(2013) Juan José Gutiérrez-Sevillano et al.   RSC Advances

Synthesis and Structure Determination of a New Microporous Zeolite with Large Cavities Connected by Small Pores

(2012) Manuel Hernández-Rodríguez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A DFT study on multivalent cation-exchanged Y zeolites as potential selective adsorbent for H2S

(2012) Chun-Yi Sung et al.   MICROPOROUS AND MESOPOROUS MATERIALS

H2S adsorption by Ag and Cu ion exchanged faujasites

(2011) Parveen Kumar et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Grand-Canonical Monte Carlo and Molecular-Dynamics Simulations of Carbon-Dioxide and Carbon-Monoxide Adsorption in Zeolitic Imidazolate Framework Materials

(2010) Andrew Sirjoosingh et al.   Journal of Physical Chemistry C

Hydrogen sulphide removal from biogas by zeolite adsorptionPart I. GCMC molecular simulations

(2008) P COSOLI et al.   CHEMICAL ENGINEERING JOURNAL

Multiscale Simulation Starting at the Molecular Level for Adsorption Process Development

(2008) Hae-Jeong Son et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

Adsorption Properties of Organosulfur Compounds on Zeolite Clusters: A Density Functional Theory Calculation Study

(2008) Doohwan Lee et al.   Journal of Physical Chemistry C